Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs
Published 2019 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs
Authors
Keywords
-
Journal
Nature Communications
Volume 10, Issue 1, Pages -
Publisher
Springer Science and Business Media LLC
Online
2019-07-23
DOI
10.1038/s41467-019-11062-7
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Exploring the structural origins of cryptic sites on proteins
- (2018) Dmitri Beglov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- MK-7622: A First-in-Class M1 Positive Allosteric Modulator Development Candidate
- (2018) Douglas C. Beshore et al. ACS Medicinal Chemistry Letters
- Dopamine D3 receptor antagonist reveals a cryptic pocket in aminergic GPCRs
- (2018) Noelia Ferruz et al. Scientific Reports
- Structural insights into G-protein-coupled receptor allostery
- (2018) David M. Thal et al. NATURE
- Molecular Dynamics Simulation for All
- (2018) Scott A. Hollingsworth et al. NEURON
- TAK-071, a novel M1 positive allosteric modulator with low cooperativity, improves cognitive function in rodents with few cholinergic side effects
- (2018) Yuu Sako et al. NEUROPSYCHOPHARMACOLOGY
- Trends in GPCR drug discovery: new agents, targets and indications
- (2017) Alexander S. Hauser et al. NATURE REVIEWS DRUG DISCOVERY
- GPCRdb in 2018: adding GPCR structure models and ligands
- (2017) Gáspár Pándy-Szekeres et al. NUCLEIC ACIDS RESEARCH
- M1 muscarinic allosteric modulators slow prion neurodegeneration and restore memory loss
- (2016) Sophie J. Bradley et al. JOURNAL OF CLINICAL INVESTIGATION
- Discovery of the Potent and Selective M1 PAM-Agonist N-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2-carboxamide (PF-06767832): Evaluation of Efficacy and Cholinergic Side Effects
- (2016) Jennifer E. Davoren et al. JOURNAL OF MEDICINAL CHEMISTRY
- CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites
- (2016) Peter Cimermancic et al. JOURNAL OF MOLECULAR BIOLOGY
- Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations
- (2016) Vladimiras Oleinikovas et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Crystal structures of the M1 and M4 muscarinic acetylcholine receptors
- (2016) David M. Thal et al. NATURE
- A comprehensive map of molecular drug targets
- (2016) Rita Santos et al. NATURE REVIEWS DRUG DISCOVERY
- Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning
- (2015) Chad W. Hopkins et al. Journal of Chemical Theory and Computation
- Insights into the Role of Asp792.50 in β2 Adrenergic Receptor Activation from Molecular Dynamics Simulations
- (2014) Anirudh Ranganathan et al. BIOCHEMISTRY
- Molecular Determinants of Allosteric Modulation at the M1Muscarinic Acetylcholine Receptor
- (2014) Alaa Abdul-Ridha et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Mechanistic Insights into Allosteric Structure-Function Relationships at the M1Muscarinic Acetylcholine Receptor
- (2014) Alaa Abdul-Ridha et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Differences in Conformational Dynamics between Plasmodium falciparum and Human Hsp90 Orthologues Enable the Structure-Based Discovery of Pathogen-Selective Inhibitors
- (2014) Tai Wang et al. JOURNAL OF MEDICINAL CHEMISTRY
- Muscarinic acetylcholine receptors: novel opportunities for drug development
- (2014) Andrew C. Kruse et al. NATURE REVIEWS DRUG DISCOVERY
- Energetic dissection of Gleevec's selectivity toward human tyrosine kinases
- (2014) Roman V Agafonov et al. NATURE STRUCTURAL & MOLECULAR BIOLOGY
- Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis
- (2014) Thor Seneca Thorsen et al. STRUCTURE
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
- (2013) Daniel R. Roe et al. Journal of Chemical Theory and Computation
- Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
- (2013) Romelia Salomon-Ferrer et al. Journal of Chemical Theory and Computation
- CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
- (2013) Jing Huang et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Synthesis and Pharmacological Profiling of Analogues of Benzyl Quinolone Carboxylic Acid (BQCA) as Allosteric Modulators of the M1 Muscarinic Receptor
- (2013) Shailesh N. Mistry et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs
- (2013) Ron O. Dror et al. NATURE
- Activation and allosteric modulation of a muscarinic acetylcholine receptor
- (2013) Andrew C. Kruse et al. NATURE
- Emerging paradigms in GPCR allostery: implications for drug discovery
- (2013) Denise Wootten et al. NATURE REVIEWS DRUG DISCOVERY
- Inclusion of Many-Body Effects in the Additive CHARMM Protein CMAP Potential Results in Enhanced Cooperativity of α-Helix and β-Hairpin Formation
- (2012) Robert B. Best et al. BIOPHYSICAL JOURNAL
- The potent M1 receptor allosteric agonist GSK1034702 improves episodic memory in humans in the nicotine abstinence model of cognitive dysfunction
- (2012) Pradeep J. Nathan et al. INTERNATIONAL JOURNAL OF NEUROPSYCHOPHARMACOLOGY
- Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges
- (2012) K. Vanommeslaeghe et al. Journal of Chemical Information and Modeling
- Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
- (2012) K. Vanommeslaeghe et al. Journal of Chemical Information and Modeling
- Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
- (2012) Robert B. Best et al. Journal of Chemical Theory and Computation
- Molecular Determinants of Selectivity and Efficacy at the Dopamine D3 Receptor
- (2012) Amy Hauck Newman et al. JOURNAL OF MEDICINAL CHEMISTRY
- Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
- (2012) Kazuko Haga et al. NATURE
- Structure and dynamics of the M3 muscarinic acetylcholine receptor
- (2012) Andrew C. Kruse et al. NATURE
- A new era of GPCR structural and chemical biology
- (2012) Sébastien Granier et al. Nature Chemical Biology
- LY2033298, a positive allosteric modulator at muscarinic M4 receptors, enhances inhibition by oxotremorine of light-induced phase shifts in hamster circadian activity rhythms
- (2012) Robert L. Gannon et al. PSYCHOPHARMACOLOGY
- The allosteric vestibule of a seven transmembrane helical receptor controls G-protein coupling
- (2012) Andreas Bock et al. Nature Communications
- Crystal structure of the β2 adrenergic receptor–Gs protein complex
- (2011) Søren G. F. Rasmussen et al. NATURE
- Computer-aided drug-discovery techniques that account for receptor flexibility
- (2010) Jacob D Durrant et al. CURRENT OPINION IN PHARMACOLOGY
- Molecular Dynamics Simulations Show That Conformational Selection Governs the Binding Preferences of Imatinib for Several Tyrosine Kinases
- (2010) Alexey Aleksandrov et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
- (2010) Jeffery B. Klauda et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Allosteric activators of muscarinic receptors as novel approaches for treatment of CNS disorders
- (2010) Gregory J. Digby et al. Molecular BioSystems
- The p110δ structure: mechanisms for selectivity and potency of new PI(3)K inhibitors
- (2010) Alex Berndt et al. Nature Chemical Biology
- The M3-muscarinic receptor regulates learning and memory in a receptor phosphorylation/arrestin-dependent manner
- (2010) B. Poulin et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Selective activation of the M1 muscarinic acetylcholine receptor achieved by allosteric potentiation
- (2009) L. Ma et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Subtype-selective allosteric modulators of muscarinic receptors for the treatment of CNS disorders
- (2009) P. Jeffrey Conn et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- Allosteric modulation of the muscarinic M4 receptor as an approach to treating schizophrenia
- (2008) W. Y. Chan et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search